4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide

C19H26ClN3O2 — CID 70055953

IUPAC4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide
SMILESCCCCN1CCC(Cc2cc3c(N)c(Cl)cc(C(N)=O)c3o2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-2-3-6-23-7-4-12(5-8-23)9-13-10-14-17(21)16(20)11-15(19(22)24)18(14)25-13/h10-12H,2-9,21H2,1H3,(H2,22,24)
InChIKeyGIIPVXXSDJVPKQ-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.82
Rot. Bonds6

About 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide

4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide (PubChem CID 70055953) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide
PubChem CID70055953
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide
SMILESCCCCN1CCC(Cc2cc3c(N)c(Cl)cc(C(N)=O)c3o2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-2-3-6-23-7-4-12(5-8-23)9-13-10-14-17(21)16(20)11-15(19(22)24)18(14)25-13/h10-12H,2-9,21H2,1H3,(H2,22,24)
InChIKeyGIIPVXXSDJVPKQ-UHFFFAOYSA-N
XLogP3.82
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-amino-3-[(1-butylpiperidin-4-yl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl]acetamide
CID 139909477
5-amino-6-chloro-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 23207727
5-amino-N-[(1-butyl-3-hydroxypiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
CID 18007866
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
2-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-(1-pentylpiperidin-4-yl)acetamide;hydrochloride
CID 70095433
(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate
CID 21467241
(1-butylpiperidin-4-yl)methyl 5-amino-6-methyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate;chloromethane;ethane
CID 142114051
[(3S,4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate;oxalic acid
CID 158720026
4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
4-amino-5-chloro-N-[[1-[6-(diethylamino)hexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54117469
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide?
The IUPAC name of 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide (CID 70055953) is 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide is CCCCN1CCC(Cc2cc3c(N)c(Cl)cc(C(N)=O)c3o2)CC1.
What is the InChIKey of 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide?
The InChIKey is GIIPVXXSDJVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-3-6-23-7-4-12(5-8-23)9-13-10-14-17(21)16(20)11-15(19(22)24)18(14)25-13/h10-12H,2-9,21H2,1H3,(H2,22,24).
What are the key properties of 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide?
4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 70055953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).